CHEBI:864 - (S)-2,3,4,5-tetrahydrodipicolinic acid

ChEBI IDCHEBI:864
ChEBI Name(S)-2,3,4,5-tetrahydrodipicolinic acid
Stars
ASCII Name(S)-2,3,4,5-tetrahydrodipicolinic acid
DefinitionThe (2S)-stereoisomer of 2,3,4,5-tetrahydrodipicolinic acid.
Last Modified30 January 2015
DownloadsMolfile
FormulaC7H9NO4
Net Charge0
Average Mass171.152
Monoisotopic Mass171.05316
SMILESO=C(O)C1=N[C@H](C(=O)O)CCC1
InChIInChI=1S/C7H9NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h4H,1-3H2,(H,9,10)(H,11,12)/t4-/m0/s1
InChIKeyCXMBCXQHOXUCEO-BYPYZUCNSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
(S)-2,3,4,5-tetrahydrodipicolinic acid (CHEBI:864) is a 2,3,4,5-tetrahydrodipicolinic acid (CHEBI:32976)
(S)-2,3,4,5-tetrahydrodipicolinic acid (CHEBI:864) is conjugate acid of (S)-2,3,4,5-tetrahydrodipicolinate(2−) (CHEBI:16845)
Incoming Relation(s)
(S)-2,3,4,5-tetrahydrodipicolinate(2−) (CHEBI:16845) is conjugate base of (S)-2,3,4,5-tetrahydrodipicolinic acid (CHEBI:864)
IUPAC Name 
(2S)-2,3,4,5-tetrahydropyridine-2,6-dicarboxylic acid
Synonym  Source
L-2,3,4,5-tetrahydrodipicolinic acidChEBI
Manual XrefsDatabases
C03972KEGG COMPOUND
C00007502KNApSAcK
Registry NumbersSources
Reaxys:8979116Reaxys